methyl (E)-7-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: methyl (E)-7-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: methyl (E)-7-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[4-[(4-cyclohexylbutylamino)-oxomethyl]-2-oxazolyl]phenyl]-7-(3-pyridinyl)-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]-7-(3-pyridyl)hept-6-enoic acid methyl ester Formula: C33H41N3O4 MolecularWeight: 543.69634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC=C(C1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)CCCC/C=C(\C1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3)/C4=CN=CC=C4

InChI

InChI=1S/C33H41N3O4/c1-39-31(37)16-7-3-6-15-29(28-14-10-21-34-23-28)26-17-19-27(20-18-26)33-36-30(24-40-33)32(38)35-22-9-8-13-25-11-4-2-5-12-25/h10,14-15,17-21,23-25H,2-9,11-13,16,22H2,1H3,(H,35,38)/b29-15+